SCHEMBL2982891

SCHEMBL2982891

O=C(O)C(c1ccccc1)N1C(=O)c2cscc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
XIAP P98170 1/20 0.48
HKDC1 Q2TB90 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 5/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 3/20 0.42
MAPK1 P28482 2/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
POLB P06746 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PSMD14 O00487 1/20 0.41
NSD2 O96028 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6690737 0.86 ALDH1A1 (0.57) ALDH1A1KDM4EHSD17B10ALOX15TSHR
SCHEMBL6694241 0.86 ALDH1A1 (0.57) ALDH1A1KDM4EHSD17B10ALOX15TSHR
SCHEMBL5866035 0.86 ALDH1A1 (0.57) ALDH1A1KDM4EHSD17B10ALOX15TSHR
SCHEMBL6688353 0.79 AADAT (0.60) ALDH1A1KDM4EHSD17B10ALOX15TSHR
SCHEMBL2995692 0.78 MAPT (0.41) ALDH1A1KDM4EHSD17B10ALOX15TSHR
SCHEMBL25583422 0.78 KDM4E (0.58) ALDH1A1KDM4EHSD17B10ALOX15TSHR
SCHEMBL6693207 0.77 POLB (0.57) ALDH1A1KDM4EHSD17B10ALOX15TSHR
SCHEMBL6691284 0.75 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10ALOX15TSHR
SCHEMBL29005218 0.75 TP53 (0.52) ALDH1A1KDM4EHSD17B10ALOX15TSHR
SCHEMBL30342198 0.75 TP53 (0.52) ALDH1A1KDM4EHSD17B10ALOX15TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466191-B2 Pyrroline derivatives against cell releasing tumor necrosis factor, preparation methods and uses thereof ZHANG HESHENG (CN) 2013-06-18 US claimed
EP-2083011-B1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TIANJIN HEMAY BIO TECH CO LTD (CN) 2014-06-04 EP disclosed
US-8466191-B2 Pyrroline derivatives against cell releasing tumor necrosis factor, preparation methods and uses thereof ZHANG HESHENG (CN) 2013-06-18 US disclosed
US-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF ZHANG HESHENG 2010-07-15 US disclosed
EP-2083011-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF Tian Jin Hemay Bio-Tech Co., Ltd. (CN) 2009-07-29 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TNF, IL1B, NOS1 ALDH1A1 1039/4885KDM4E 4109/4885HSD17B10 3185/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.